2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-4-methyl-5-[(4-methyl-1-oxidanyl-pentan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-4-methyl-5-[(4-methyl-1-oxidanyl-pentan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[1-(hydroxymethyl)-3-methyl-butyl]carbamoyl]-4-methyl-benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[[(1-hydroxy-4-methylpentan-2-yl)amino]-oxomethyl]-4-methylbenzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-4-methylbenzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-4-methyl-5-[(3-methyl-1-methylol-butyl)carbamoyl]benzoic acid Formula: C29H33N5O6 MolecularWeight: 547.60222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=C(N=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O)C(=O)NC(CC(C)C)CO

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=C(N=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O)C(=O)NC(CC(C)C)CO

InChI

InChI=1S/C29H33N5O6/c1-15(2)11-19(14-35)33-27(36)21-13-23(29(38)39)22(12-16(21)3)20-9-10-24(40-4)34-25(20)28(37)32-18-7-5-17(6-8-18)26(30)31/h5-10,12-13,15,19,35H,11,14H2,1-4H3,(H3,30,31)(H,32,37)(H,33,36)(H,38,39)